5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one

C13H15ClN4O2 — CID 103223127

IUPAC5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one
SMILESNCCCOc1cnn(Cc2ccncc2Cl)c(=O)c1
InChIInChI=1S/C13H15ClN4O2/c14-12-8-16-4-2-10(12)9-18-13(19)6-11(7-17-18)20-5-1-3-15/h2,4,6-8H,1,3,5,9,15H2
InChIKeyXWOKERRERBGWJU-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.07
Rot. Bonds6

About 5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one

5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one (PubChem CID 103223127) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one
PubChem CID103223127
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one
SMILESNCCCOc1cnn(Cc2ccncc2Cl)c(=O)c1
InChIInChI=1S/C13H15ClN4O2/c14-12-8-16-4-2-10(12)9-18-13(19)6-11(7-17-18)20-5-1-3-15/h2,4,6-8H,1,3,5,9,15H2
InChIKeyXWOKERRERBGWJU-UHFFFAOYSA-N
XLogP1.07
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one?
The IUPAC name of 5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one (CID 103223127) is 5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one is NCCCOc1cnn(Cc2ccncc2Cl)c(=O)c1.
What is the InChIKey of 5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one?
The InChIKey is XWOKERRERBGWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c14-12-8-16-4-2-10(12)9-18-13(19)6-11(7-17-18)20-5-1-3-15/h2,4,6-8H,1,3,5,9,15H2.
What are the key properties of 5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one?
5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one has a molecular weight of 294.74 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-2-[(3-chloro-4-pyridinyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103223127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).